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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester

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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID JpiNc1J8F7U
InChI InChI=1S/C23H32O4/c1-3-4-6-11-19-20(16-9-7-5-8-10-16)21-17(13-24)12-18(14-27-15(2)25)22(21)23(19)26/h5,7-10,17-22,24H,3-4,6,11-14H2,1-2H3/t17-,18+,19-,20-,21+,22+/m0/s1
InChIKey YFDWENSLOXHBKW-LUDAKILFSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KV8h2JUbhoB
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-amyl-6-keto-3-methylol-4-phenyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-3-4-6-11-19-20(16-9-7-5-8-10-16)21-17(13-24)12-18(14-27-15(2)25)22(21)23(19)26/h5,7-10,17-22,24H,3-4,6,11-14H2,1-2H3/t17-,18+,19-,20-,21+,22+/m0/s1
InChIKey YFDWENSLOXHBKW-LUDAKILFSA-N
Literature Reference Author A.BECHEANU,A.BARO,S.LASCHAT,W.FREY
Literature Reference Citation EUR.J.ORG.CHEM.,2215(2006)
Literature Reference DOI 10.1002/ejoc.200500966
Molecular Weight 372.505 g/mol
Sample ID 46532
Solvent CDCl3